General Information of the Compound
| Compound ID |
CP0392651
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| Compound Name |
2-[1-[4-[(4-phenylbenzoyl)amino]benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C31H22N2O4
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| Molecular Weight |
486.527
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(cc3)-c3ccccc3)cc2)c2ccccc12
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| InChI |
InChI=1S/C31H22N2O4/c34-28(35)18-24-19-32-29(27-9-5-4-8-26(24)27)30(36)22-14-16-25(17-15-22)33-31(37)23-12-10-21(11-13-23)20-6-2-1-3-7-20/h1-17,19H,18H2,(H,33,37)(H,34,35)
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| InChIKey |
AHQUTLSTXAUDDC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound